(8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione

C14H15FO4 — CID 91752673

IUPAC(8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione
SMILESO=C1CC[C@H](CCc2ccc(F)cc2)OC(=O)CO1
InChIInChI=1S/C14H15FO4/c15-11-4-1-10(2-5-11)3-6-12-7-8-13(16)18-9-14(17)19-12/h1-2,4-5,12H,3,6-9H2/t12-/m0/s1
InChIKeyUKIULMNSSNQUCF-LBPRGKRZSA-N
MW266.27 g/mol
LogP2.01
Rot. Bonds3

About (8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione

(8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione (PubChem CID 91752673) has the molecular formula C14H15FO4 and a molecular weight of 266.27 g/mol. Its IUPAC name is (8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione.

Molecular Properties

Compound Name(8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione
PubChem CID91752673
Molecular FormulaC14H15FO4
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name(8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione
SMILESO=C1CC[C@H](CCc2ccc(F)cc2)OC(=O)CO1
InChIInChI=1S/C14H15FO4/c15-11-4-1-10(2-5-11)3-6-12-7-8-13(16)18-9-14(17)19-12/h1-2,4-5,12H,3,6-9H2/t12-/m0/s1
InChIKeyUKIULMNSSNQUCF-LBPRGKRZSA-N
XLogP2.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Glycidic acid, 2-(3-(p-fluorophenyl)propyl)-, ethyl ester
CID 54222
Ethyl 3-phenyl-3-fluoropyruvate
CID 11095876
Ethyl 3-fluoro-2-oxo-3-phenylbutanoate
CID 10822999
Trichoderolide C
CID 156581026
Ethoxycarbonylmethyl 3-phenylpropanoate
CID 321703
Ethyl (phenylacetoxy)acetate
CID 576346
3-Oxo-4-phenylbutan-2-yl acetate
CID 13574142
3-(4-Fluorophenyl)-2-methoxypropanoic acid
CID 84115420
2-Methoxy-3,3-difluoro-4-oxo-5-phenylvaleric acid methyl ester
CID 15828587
ethyl (2S)-4-(4-fluorophenyl)-2-hydroxybutanoate
CID 102410982
3-[3-(4-Fluorophenyl)propyl]tetrahydrofuran-2,4-dione
CID 129742576
Ethyl 3-fluoro-2-oxo-3-phenylpentanoate
CID 134916631

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione?
The IUPAC name of (8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione (CID 91752673) is (8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione.
What is the SMILES notation for (8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione?
The canonical SMILES for (8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione is O=C1CC[C@H](CCc2ccc(F)cc2)OC(=O)CO1.
What is the InChIKey of (8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione?
The InChIKey is UKIULMNSSNQUCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15FO4/c15-11-4-1-10(2-5-11)3-6-12-7-8-13(16)18-9-14(17)19-12/h1-2,4-5,12H,3,6-9H2/t12-/m0/s1.
What are the key properties of (8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione?
(8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione has a molecular weight of 266.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[2-(4-fluorophenyl)ethyl]-1,4-dioxocane-2,5-dione is sourced from PubChem (CID 91752673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).